(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan

C19H20O3 — CID 57342578

IUPAC(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan
SMILESCOc1cc(OC)c2c(c1)[C@H]1OCC[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C19H20O3/c1-20-13-10-15-18(16(11-13)21-2)17(12-6-4-3-5-7-12)14-8-9-22-19(14)15/h3-7,10-11,14,17,19H,8-9H2,1-2H3/t14-,17-,19-/m0/s1
InChIKeyIPXPYLDRIXPRTE-FNHZYXHNSA-N
MW296.37 g/mol
LogP3.93
Rot. Bonds3

About (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan

(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan (PubChem CID 57342578) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan.

Molecular Properties

Compound Name(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan
PubChem CID57342578
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan
SMILESCOc1cc(OC)c2c(c1)[C@H]1OCC[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C19H20O3/c1-20-13-10-15-18(16(11-13)21-2)17(12-6-4-3-5-7-12)14-8-9-22-19(14)15/h3-7,10-11,14,17,19H,8-9H2,1-2H3/t14-,17-,19-/m0/s1
InChIKeyIPXPYLDRIXPRTE-FNHZYXHNSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan with MolForge

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Related Compounds

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(1R,3aS,4R,8bS)-1-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan
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CID 102170286
(3aR,4R,9bR)-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
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7,9-dimethoxy-4-methyl-6-phenyl-3,6-dihydro-2H-1,5,4-benzodioxazocine
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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan?
The IUPAC name of (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan (CID 57342578) is (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan.
What is the SMILES notation for (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan?
The canonical SMILES for (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan is COc1cc(OC)c2c(c1)[C@H]1OCC[C@H]1[C@@H]2c1ccccc1.
What is the InChIKey of (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan?
The InChIKey is IPXPYLDRIXPRTE-FNHZYXHNSA-N. The full InChI is InChI=1S/C19H20O3/c1-20-13-10-15-18(16(11-13)21-2)17(12-6-4-3-5-7-12)14-8-9-22-19(14)15/h3-7,10-11,14,17,19H,8-9H2,1-2H3/t14-,17-,19-/m0/s1.
What are the key properties of (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan?
(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan has a molecular weight of 296.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan is sourced from PubChem (CID 57342578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).